logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


CHEMBLOCK-ZINC04535453

 MMsINC code: MMs00555518
Type: Ionized
Formula: C5H9NO5P-
SMILES:   [PH](O)(=O)CC(NC(=O)C)C(=O)[O-]
InChI:   InChI=1/C5H10NO5P/c1-3(7)6-4(5(8)9)2-12(10)11/h4,12H,2H2,1H3,(H,6,7)(H,8,9)(H,10,11)/p-1/t4-/m1/s1

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=-8.27346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.103 g/mol  logS: -0.05919  SlogP: -3.3622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127371  Sterimol/B1: 2.58066  Sterimol/B2: 2.84596  Sterimol/B3: 3.4294
  Sterimol/B4: 6.09927  Sterimol/L: 9.88733 
 
 Surface and Volume Properties
  Accessible surface: 356.313  Positive charged surface: 176.715  Negative charged surface: 179.598  Volume: 152.75
  Hydrophobic surface: 142.739  Hydrophilic surface: 213.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   
Parent related molecule:


MMs00555517
CHEMBLOCK-ZINC04535453